SCHEMBL3748161

SCHEMBL3748161

CC(C)(C)OC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CPB1 P15086 2/20 0.51
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM1A O60341 2/20 0.49
MAOB P27338 2/20 0.49
TLR4 O00206 1/20 0.45
CCR2 P41597 1/20 0.45
EPHX1 P07099 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
SYK P43405 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
DRD2 P14416 1/20 0.42
DPP4 P27487 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3733857 1.00 ALDH1A1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL3733860 1.00 ALDH1A1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL5027125 1.00 ALDH1A1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL27667807 1.00 ALDH1A1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL3733016 0.92 ALDH1A1 (0.50) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL5259011 0.92 ALDH1A1 (0.50) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL5259014 0.92 ALDH1A1 (0.50) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL3736732 0.90 CPB1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL27647240 0.90 CPB1 (0.52) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL3736730 0.90 CPB1 (0.52) ALDH1A1GAACPB1TSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.